5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide

C8H12ClN3O2S — CID 80619035

IUPAC5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(CCOC)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H12ClN3O2S/c1-3-12(4-5-14-2)7(13)6-10-11-8(9)15-6/h3-5H2,1-2H3
InChIKeyDNTKIPAGUOCRDR-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.30
Rot. Bonds5

About 5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619035) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619035
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(CCOC)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H12ClN3O2S/c1-3-12(4-5-14-2)7(13)6-10-11-8(9)15-6/h3-5H2,1-2H3
InChIKeyDNTKIPAGUOCRDR-UHFFFAOYSA-N
XLogP1.30
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80619035) is 5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide is CCN(CCOC)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DNTKIPAGUOCRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-3-12(4-5-14-2)7(13)6-10-11-8(9)15-6/h3-5H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 249.72 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).